N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide

C20H20N4O2 — CID 3667212

IUPACN'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
SMILESC=C(NNC(=O)c1cccc(Cn2cccn2)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H20N4O2/c1-15(17-7-9-19(26-2)10-8-17)22-23-20(25)18-6-3-5-16(13-18)14-24-12-4-11-21-24/h3-13,22H,1,14H2,2H3,(H,23,25)
InChIKeySYGDPSLXCBYBIJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.85
Rot. Bonds7

About N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide

N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide (PubChem CID 3667212) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
PubChem CID3667212
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
SMILESC=C(NNC(=O)c1cccc(Cn2cccn2)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H20N4O2/c1-15(17-7-9-19(26-2)10-8-17)22-23-20(25)18-6-3-5-16(13-18)14-24-12-4-11-21-24/h3-13,22H,1,14H2,2H3,(H,23,25)
InChIKeySYGDPSLXCBYBIJ-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724961
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
1-[(3-hydroxybenzoyl)amino]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 75400123
[3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 156607219
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
N-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894
N'-(2-naphthalen-2-yloxypropanoyl)-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 134011377
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide?
The IUPAC name of N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide (CID 3667212) is N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide is C=C(NNC(=O)c1cccc(Cn2cccn2)c1)c1ccc(OC)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide?
The InChIKey is SYGDPSLXCBYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15(17-7-9-19(26-2)10-8-17)22-23-20(25)18-6-3-5-16(13-18)14-24-12-4-11-21-24/h3-13,22H,1,14H2,2H3,(H,23,25).
What are the key properties of N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide?
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide has a molecular weight of 348.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide is sourced from PubChem (CID 3667212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).